SCHEMBL702845

SCHEMBL702845

CN([C@@H]1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.34
PTGDR Q13258 6/20 0.34
TBXA2R P21731 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.32
CACNA1B Q00975 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BTK Q06187 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL702847 1.00 PTGDR2 (0.34) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL701281 0.93 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL701282 0.93 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL700247 0.93 PTGDR2 (0.34) PTGDR2PTGDRTBXA2RL3MBTL1CACNA1B
SCHEMBL700249 0.93 PTGDR2 (0.34) PTGDR2PTGDRTBXA2RL3MBTL1CACNA1B
SCHEMBL700546 0.92 L3MBTL1 (0.36) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL700547 0.92 L3MBTL1 (0.36) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL702053 0.92 PTGDR2 (0.35) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL702052 0.92 PTGDR2 (0.35) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9
SCHEMBL701379 0.91 GCK (0.36) PTGDR2PTGDRTBXA2RL3MBTL1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885PTGDR 11/4885TBXA2R 8/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885PTGDR 11/4885TBXA2R 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.